1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

C8H7ClF5N — CID 75480584

IUPAC1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C8H6F5N.ClH/c9-5-3-1-2-4(6(5)10)7(14)8(11,12)13;/h1-3,7H,14H2;1H
InChIKeyGQQSNPDNZZHMJH-UHFFFAOYSA-N
MW247.59 g/mol
LogP2.95
Rot. Bonds1

About 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride

1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 75480584) has the molecular formula C8H7ClF5N and a molecular weight of 247.59 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID75480584
Molecular FormulaC8H7ClF5N
Molecular Weight247.59 g/mol
Exact Mass247.02
IUPAC Name1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C8H6F5N.ClH/c9-5-3-1-2-4(6(5)10)7(14)8(11,12)13;/h1-3,7H,14H2;1H
InChIKeyGQQSNPDNZZHMJH-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.59
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 169321688
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
CID 166403152
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-fluorophenol;hydrochloride
CID 171245844
(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine
CID 66511402
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171161694
(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171204140
3-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-fluorobenzoic acid
CID 66510253
(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237818
2,2,2-trifluoro-1-(2-fluoro-6-propan-2-ylphenyl)ethanamine
CID 134168222
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride (CID 75480584) is 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride is Cl.NC(c1cccc(F)c1F)C(F)(F)F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is GQQSNPDNZZHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N.ClH/c9-5-3-1-2-4(6(5)10)7(14)8(11,12)13;/h1-3,7H,14H2;1H.
What are the key properties of 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride?
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 247.59 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 75480584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).