(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine

C10H14ClFN2 — CID 171209299

IUPAC(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1cccc(Cl)c1F
InChIInChI=1S/C10H14ClFN2/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m1/s1
InChIKeyYTTFKXKWJULURW-SECBINFHSA-N
MW216.69 g/mol
LogP2.22
Rot. Bonds4

About (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine

(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine (PubChem CID 171209299) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
PubChem CID171209299
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1cccc(Cl)c1F
InChIInChI=1S/C10H14ClFN2/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m1/s1
InChIKeyYTTFKXKWJULURW-SECBINFHSA-N
XLogP2.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171209326
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine (CID 171209299) is (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine is NCCC[C@@H](N)c1cccc(Cl)c1F.
What is the InChIKey of (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine?
The InChIKey is YTTFKXKWJULURW-SECBINFHSA-N. The full InChI is InChI=1S/C10H14ClFN2/c11-8-4-1-3-7(10(8)12)9(14)5-2-6-13/h1,3-4,9H,2,5-6,13-14H2/t9-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine?
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine has a molecular weight of 216.69 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 171209299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).