1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine

C12H14F4N2O — CID 138985666

IUPAC1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1cc(CN2CCNCC2)ccc1OC(F)(F)F
InChIInChI=1S/C12H14F4N2O/c13-10-7-9(8-18-5-3-17-4-6-18)1-2-11(10)19-12(14,15)16/h1-2,7,17H,3-6,8H2
InChIKeyRBEXCNYUZXAZHQ-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.13
Rot. Bonds3

About 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine

1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 138985666) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID138985666
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESFc1cc(CN2CCNCC2)ccc1OC(F)(F)F
InChIInChI=1S/C12H14F4N2O/c13-10-7-9(8-18-5-3-17-4-6-18)1-2-11(10)19-12(14,15)16/h1-2,7,17H,3-6,8H2
InChIKeyRBEXCNYUZXAZHQ-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279500
4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 122238069
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]azetidine
CID 151114566
1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine
CID 171165765
1-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171165806
1-[(1R)-4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171077
4-[3-fluoro-4-(trifluoromethoxy)phenyl]but-2-ynoxymethyl piperazine-1-carboxylate
CID 156743474
tert-butyl formate;1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 174629991
1-[[4-[4-[2-(2-fluoropropan-2-yl)-4-(piperazin-1-ylmethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 143935232

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 138985666) is 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine is Fc1cc(CN2CCNCC2)ccc1OC(F)(F)F.
What is the InChIKey of 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is RBEXCNYUZXAZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c13-10-7-9(8-18-5-3-17-4-6-18)1-2-11(10)19-12(14,15)16/h1-2,7,17H,3-6,8H2.
What are the key properties of 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 278.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 138985666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).