1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine

C15H17ClF4N2 — CID 171292567

IUPAC1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine
SMILESFc1c(Cl)cc(C(F)(F)F)cc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C15H17ClF4N2/c16-12-8-10(15(18,19)20)7-11(13(12)17)14(9-1-2-9)22-5-3-21-4-6-22/h7-9,14,21H,1-6H2/t14-/m1/s1
InChIKeyBSFKGUYUSHXDFW-CQSZACIVSA-N
MW336.76 g/mol
LogP3.85
Rot. Bonds3

About 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine

1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine (PubChem CID 171292567) has the molecular formula C15H17ClF4N2 and a molecular weight of 336.76 g/mol. Its IUPAC name is 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine
PubChem CID171292567
Molecular FormulaC15H17ClF4N2
Molecular Weight336.76 g/mol
Exact Mass336.10
IUPAC Name1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine
SMILESFc1c(Cl)cc(C(F)(F)F)cc1[C@@H](C1CC1)N1CCNCC1
InChIInChI=1S/C15H17ClF4N2/c16-12-8-10(15(18,19)20)7-11(13(12)17)14(9-1-2-9)22-5-3-21-4-6-22/h7-9,14,21H,1-6H2/t14-/m1/s1
InChIKeyBSFKGUYUSHXDFW-CQSZACIVSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine
CID 171171472
1-[(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171166217
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171279941
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
CID 171182017
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171279937
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine
CID 171177046
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171292565
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 171166065
(2R)-2-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol
CID 171174689
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302886

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine?
The IUPAC name of 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine (CID 171292567) is 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine?
The canonical SMILES for 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine is Fc1c(Cl)cc(C(F)(F)F)cc1[C@@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine?
The InChIKey is BSFKGUYUSHXDFW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17ClF4N2/c16-12-8-10(15(18,19)20)7-11(13(12)17)14(9-1-2-9)22-5-3-21-4-6-22/h7-9,14,21H,1-6H2/t14-/m1/s1.
What are the key properties of 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine?
1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine has a molecular weight of 336.76 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-cyclopropylmethyl]piperazine is sourced from PubChem (CID 171292567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).