1-(3,4-difluorophenyl)butane-1,3-diamine

C10H14F2N2 — CID 116933240

IUPAC1-(3,4-difluorophenyl)butane-1,3-diamine
SMILESCC(N)CC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2/c1-6(13)4-10(14)7-2-3-8(11)9(12)5-7/h2-3,5-6,10H,4,13-14H2,1H3
InChIKeyHFAJWCFKJIQHMK-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.70
Rot. Bonds3

About 1-(3,4-difluorophenyl)butane-1,3-diamine

1-(3,4-difluorophenyl)butane-1,3-diamine (PubChem CID 116933240) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)butane-1,3-diamine
PubChem CID116933240
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-(3,4-difluorophenyl)butane-1,3-diamine
SMILESCC(N)CC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2/c1-6(13)4-10(14)7-2-3-8(11)9(12)5-7/h2-3,5-6,10H,4,13-14H2,1H3
InChIKeyHFAJWCFKJIQHMK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 116932454
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(3S)-3-amino-3-(3,4-difluorophenyl)propanenitrile
CID 130722844
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)butane-1,3-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)butane-1,3-diamine (CID 116933240) is 1-(3,4-difluorophenyl)butane-1,3-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)butane-1,3-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)butane-1,3-diamine is CC(N)CC(N)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)butane-1,3-diamine?
The InChIKey is HFAJWCFKJIQHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-6(13)4-10(14)7-2-3-8(11)9(12)5-7/h2-3,5-6,10H,4,13-14H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)butane-1,3-diamine?
1-(3,4-difluorophenyl)butane-1,3-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)butane-1,3-diamine is sourced from PubChem (CID 116933240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).