4,4-difluoro-3-phenylbutan-1-amine

C10H13F2N — CID 115016853

IUPAC4,4-difluoro-3-phenylbutan-1-amine
SMILESNCCC(c1ccccc1)C(F)F
InChIInChI=1S/C10H13F2N/c11-10(12)9(6-7-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2
InChIKeyXVXZDZBRCLTLCZ-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.38
Rot. Bonds4

About 4,4-difluoro-3-phenylbutan-1-amine

4,4-difluoro-3-phenylbutan-1-amine (PubChem CID 115016853) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 4,4-difluoro-3-phenylbutan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-3-phenylbutan-1-amine
PubChem CID115016853
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name4,4-difluoro-3-phenylbutan-1-amine
SMILESNCCC(c1ccccc1)C(F)F
InChIInChI=1S/C10H13F2N/c11-10(12)9(6-7-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2
InChIKeyXVXZDZBRCLTLCZ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine
CID 115029046
2-phenylbutane-1,4-diamine
CID 16770348
(3S,4S)-3-fluoro-4-phenylpentan-1-amine
CID 102430621
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
4-(4-ethylphenyl)-3-phenylpentan-1-amine
CID 57150711
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
2,3,3-triphenylpropan-1-amine
CID 11781172
(1R)-1-(4-phenylphenyl)propane-1,3-diamine
CID 171208417
2-phenylpentane-1,5-diamine
CID 22770284
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
5-fluorooctan-4-ylbenzene
CID 173060835

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-phenylbutan-1-amine?
The IUPAC name of 4,4-difluoro-3-phenylbutan-1-amine (CID 115016853) is 4,4-difluoro-3-phenylbutan-1-amine.
What is the SMILES notation for 4,4-difluoro-3-phenylbutan-1-amine?
The canonical SMILES for 4,4-difluoro-3-phenylbutan-1-amine is NCCC(c1ccccc1)C(F)F.
What is the InChIKey of 4,4-difluoro-3-phenylbutan-1-amine?
The InChIKey is XVXZDZBRCLTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c11-10(12)9(6-7-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2.
What are the key properties of 4,4-difluoro-3-phenylbutan-1-amine?
4,4-difluoro-3-phenylbutan-1-amine has a molecular weight of 185.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-phenylbutan-1-amine is sourced from PubChem (CID 115016853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).