(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine

C9H9ClF3N — CID 96707876

IUPAC(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNC[C@@H](c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c10-7-3-1-2-6(4-7)8(5-14)9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1
InChIKeySVEZKQHPNLRCEG-QMMMGPOBSA-N
MW223.63 g/mol
LogP2.94
Rot. Bonds2

About (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine

(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 96707876) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID96707876
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNC[C@@H](c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c10-7-3-1-2-6(4-7)8(5-14)9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1
InChIKeySVEZKQHPNLRCEG-QMMMGPOBSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-3,3-dimethylbutan-1-amine
CID 82078166
2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
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1-chloro-3-(1,1,1-trifluoropropan-2-yl)benzene
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(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
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3-(3-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
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(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237874
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
CID 58450364
CID 58450364
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
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CID 65383380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine (CID 96707876) is (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine is NC[C@@H](c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is SVEZKQHPNLRCEG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClF3N/c10-7-3-1-2-6(4-7)8(5-14)9(11,12)13/h1-4,8H,5,14H2/t8-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine?
(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 223.63 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 96707876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).