(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine

C9H9F4N — CID 103693865

IUPAC(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccccc1F
InChIInChI=1S/C9H9F4N/c10-7-4-2-1-3-6(7)8(14)5-9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1
InChIKeyNVWWWOSPKHUZLV-MRVPVSSYSA-N
MW207.17 g/mol
LogP2.78
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine

(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine (PubChem CID 103693865) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
PubChem CID103693865
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccccc1F
InChIInChI=1S/C9H9F4N/c10-7-4-2-1-3-6(7)8(14)5-9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1
InChIKeyNVWWWOSPKHUZLV-MRVPVSSYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(1R)-1-(2-bromophenyl)-3,3,3-trifluoropropan-1-amine
CID 97290639
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
(1R)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171202089
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
(1R)-1-(4-chloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103694258
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-fluoro-2-[3,3,3-trifluoro-1-[[3,3,3-trifluoro-1-(2-fluorophenyl)propyl]disulfanyl]propyl]benzene
CID 87394962
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine (CID 103693865) is (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine is N[C@H](CC(F)(F)F)c1ccccc1F.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is NVWWWOSPKHUZLV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F4N/c10-7-4-2-1-3-6(7)8(14)5-9(11,12)13/h1-4,8H,5,14H2/t8-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine?
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 207.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 103693865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).