4-fluoro-4-(3-fluorophenyl)butan-1-amine

C10H13F2N — CID 83855480

IUPAC4-fluoro-4-(3-fluorophenyl)butan-1-amine
SMILESNCCCC(F)c1cccc(F)c1
InChIInChI=1S/C10H13F2N/c11-9-4-1-3-8(7-9)10(12)5-2-6-13/h1,3-4,7,10H,2,5-6,13H2
InChIKeyBVMIQESWHZVTBW-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.58
Rot. Bonds4

About 4-fluoro-4-(3-fluorophenyl)butan-1-amine

4-fluoro-4-(3-fluorophenyl)butan-1-amine (PubChem CID 83855480) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-fluoro-4-(3-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(3-fluorophenyl)butan-1-amine
PubChem CID83855480
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name4-fluoro-4-(3-fluorophenyl)butan-1-amine
SMILESNCCCC(F)c1cccc(F)c1
InChIInChI=1S/C10H13F2N/c11-9-4-1-3-8(7-9)10(12)5-2-6-13/h1,3-4,7,10H,2,5-6,13H2
InChIKeyBVMIQESWHZVTBW-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
trichloro-[3-fluoro-3-(3-fluorophenyl)propyl]silane
CID 139911764
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 105452091
(1S)-1-(3-fluorophenyl)hepta-5,6-dien-1-amine
CID 129395522
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-fluorophenyl)butan-1-amine?
The IUPAC name of 4-fluoro-4-(3-fluorophenyl)butan-1-amine (CID 83855480) is 4-fluoro-4-(3-fluorophenyl)butan-1-amine.
What is the SMILES notation for 4-fluoro-4-(3-fluorophenyl)butan-1-amine?
The canonical SMILES for 4-fluoro-4-(3-fluorophenyl)butan-1-amine is NCCCC(F)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-4-(3-fluorophenyl)butan-1-amine?
The InChIKey is BVMIQESWHZVTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c11-9-4-1-3-8(7-9)10(12)5-2-6-13/h1,3-4,7,10H,2,5-6,13H2.
What are the key properties of 4-fluoro-4-(3-fluorophenyl)butan-1-amine?
4-fluoro-4-(3-fluorophenyl)butan-1-amine has a molecular weight of 185.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-fluorophenyl)butan-1-amine is sourced from PubChem (CID 83855480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).