(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine

C9H10ClF2N — CID 131585694

IUPAC(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1c(F)cccc1Cl
InChIInChI=1S/C9H10ClF2N/c10-6-2-1-3-7(12)9(6)8(13)4-5-11/h1-3,8H,4-5,13H2/t8-/m0/s1
InChIKeyXPMZBTACOKTLSR-QMMMGPOBSA-N
MW205.64 g/mol
LogP2.84
Rot. Bonds3

About (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine

(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine (PubChem CID 131585694) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
PubChem CID131585694
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1c(F)cccc1Cl
InChIInChI=1S/C9H10ClF2N/c10-6-2-1-3-7(12)9(6)8(13)4-5-11/h1-3,8H,4-5,13H2/t8-/m0/s1
InChIKeyXPMZBTACOKTLSR-QMMMGPOBSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
CID 131449010
(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170
(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171227171
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine (CID 131585694) is (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine is N[C@@H](CCF)c1c(F)cccc1Cl.
What is the InChIKey of (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine?
The InChIKey is XPMZBTACOKTLSR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10ClF2N/c10-6-2-1-3-7(12)9(6)8(13)4-5-11/h1-3,8H,4-5,13H2/t8-/m0/s1.
What are the key properties of (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine?
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine has a molecular weight of 205.64 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 131585694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).