(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine

C10H12F3N — CID 130631832

IUPAC(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
SMILESCC[C@H](N)c1cc(F)ccc1C(F)F
InChIInChI=1S/C10H12F3N/c1-2-9(14)8-5-6(11)3-4-7(8)10(12)13/h3-5,9-10H,2,14H2,1H3/t9-/m0/s1
InChIKeyYZUOGPGQNPFJFU-VIFPVBQESA-N
MW203.21 g/mol
LogP3.17
Rot. Bonds3

About (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine

(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine (PubChem CID 130631832) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
PubChem CID130631832
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
SMILESCC[C@H](N)c1cc(F)ccc1C(F)F
InChIInChI=1S/C10H12F3N/c1-2-9(14)8-5-6(11)3-4-7(8)10(12)13/h3-5,9-10H,2,14H2,1H3/t9-/m0/s1
InChIKeyYZUOGPGQNPFJFU-VIFPVBQESA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol
CID 66514186
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
1-(4-fluoro-2-iodophenyl)propan-1-amine
CID 103846012
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
(1S)-1-[4-(difluoromethyl)-2-fluorophenyl]propan-1-amine
CID 131406912
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]-2,2,2-trifluoroethanamine
CID 66511138
(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 131159061
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine (CID 130631832) is (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine is CC[C@H](N)c1cc(F)ccc1C(F)F.
What is the InChIKey of (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine?
The InChIKey is YZUOGPGQNPFJFU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3N/c1-2-9(14)8-5-6(11)3-4-7(8)10(12)13/h3-5,9-10H,2,14H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine?
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine is sourced from PubChem (CID 130631832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).