4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride

C10H11Cl2F4N — CID 117046792

IUPAC4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
SMILESCl.NC(CCc1ccc(Cl)cc1F)C(F)(F)F
InChIInChI=1S/C10H10ClF4N.ClH/c11-7-3-1-6(8(12)5-7)2-4-9(16)10(13,14)15;/h1,3,5,9H,2,4,16H2;1H
InChIKeyOJLWONMGOPHLRE-UHFFFAOYSA-N
MW292.10 g/mol
LogP3.72
Rot. Bonds3

About 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride

4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride (PubChem CID 117046792) has the molecular formula C10H11Cl2F4N and a molecular weight of 292.10 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
PubChem CID117046792
Molecular FormulaC10H11Cl2F4N
Molecular Weight292.10 g/mol
Exact Mass291.02
IUPAC Name4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
SMILESCl.NC(CCc1ccc(Cl)cc1F)C(F)(F)F
InChIInChI=1S/C10H10ClF4N.ClH/c11-7-3-1-6(8(12)5-7)2-4-9(16)10(13,14)15;/h1,3,5,9H,2,4,16H2;1H
InChIKeyOJLWONMGOPHLRE-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046746
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976
4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046777
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 114857144
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-2-methylbutan-1-amine
CID 114860063
(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236858
4-[(4-chloro-2-fluorophenyl)methylsulfanyl]butan-2-amine
CID 114849731
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
1-(4-bromo-5-methylhexyl)-4-chloro-2-fluorobenzene
CID 114860163

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride (CID 117046792) is 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride is Cl.NC(CCc1ccc(Cl)cc1F)C(F)(F)F.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The InChIKey is OJLWONMGOPHLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4N.ClH/c11-7-3-1-6(8(12)5-7)2-4-9(16)10(13,14)15;/h1,3,5,9H,2,4,16H2;1H.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride?
4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride has a molecular weight of 292.10 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride is sourced from PubChem (CID 117046792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).