(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine

C9H10ClF2N — CID 131492690

IUPAC(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClF2N/c10-7-5-6(1-2-8(7)12)9(13)3-4-11/h1-2,5,9H,3-4,13H2/t9-/m0/s1
InChIKeyXFGQYVDXUISIDB-VIFPVBQESA-N
MW205.64 g/mol
LogP2.84
Rot. Bonds3

About (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine

(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine (PubChem CID 131492690) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
PubChem CID131492690
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClF2N/c10-7-5-6(1-2-8(7)12)9(13)3-4-11/h1-2,5,9H,3-4,13H2/t9-/m0/s1
InChIKeyXFGQYVDXUISIDB-VIFPVBQESA-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-(3-chloro-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171201385
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
CID 116934362
1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine
CID 114993091
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171215251
(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 118021269
1-(3-chloro-4-fluorophenyl)-2-methylsulfanylethanamine
CID 116830314
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine (CID 131492690) is (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine is N[C@@H](CCF)c1ccc(F)c(Cl)c1.
What is the InChIKey of (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine?
The InChIKey is XFGQYVDXUISIDB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10ClF2N/c10-7-5-6(1-2-8(7)12)9(13)3-4-11/h1-2,5,9H,3-4,13H2/t9-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine?
(1S)-1-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 131492690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).