2-(3,5-difluorophenyl)butane-1,3-diamine

C10H14F2N2 — CID 57152916

IUPAC2-(3,5-difluorophenyl)butane-1,3-diamine
SMILESCC(N)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C10H14F2N2/c1-6(14)10(5-13)7-2-8(11)4-9(12)3-7/h2-4,6,10H,5,13-14H2,1H3
InChIKeyQFIYDAJPYDDADH-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.35
Rot. Bonds3

About 2-(3,5-difluorophenyl)butane-1,3-diamine

2-(3,5-difluorophenyl)butane-1,3-diamine (PubChem CID 57152916) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)butane-1,3-diamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)butane-1,3-diamine
PubChem CID57152916
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-(3,5-difluorophenyl)butane-1,3-diamine
SMILESCC(N)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C10H14F2N2/c1-6(14)10(5-13)7-2-8(11)4-9(12)3-7/h2-4,6,10H,5,13-14H2,1H3
InChIKeyQFIYDAJPYDDADH-UHFFFAOYSA-N
XLogP1.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65189712
1-amino-2-(3,5-difluorophenyl)-4,4-dimethylhexan-3-ol
CID 65189332
2-[(3,5-difluorophenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443779
4-amino-3-(3,5-difluorophenyl)-1-methylsulfonylbutan-2-ol
CID 65189953
1,3-difluoro-5-(4-methylhexan-3-yl)benzene
CID 91575659
1-amino-2-(3,5-difluorophenyl)undecan-3-ol
CID 65427983
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
CID 65189521
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]pentanoic acid
CID 113292119

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)butane-1,3-diamine?
The IUPAC name of 2-(3,5-difluorophenyl)butane-1,3-diamine (CID 57152916) is 2-(3,5-difluorophenyl)butane-1,3-diamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)butane-1,3-diamine?
The canonical SMILES for 2-(3,5-difluorophenyl)butane-1,3-diamine is CC(N)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)butane-1,3-diamine?
The InChIKey is QFIYDAJPYDDADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-6(14)10(5-13)7-2-8(11)4-9(12)3-7/h2-4,6,10H,5,13-14H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)butane-1,3-diamine?
2-(3,5-difluorophenyl)butane-1,3-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)butane-1,3-diamine is sourced from PubChem (CID 57152916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).