3-fluoropentane-1,5-diamine

C5H13FN2 — CID 115011093

IUPAC3-fluoropentane-1,5-diamine
SMILESNCCC(F)CCN
InChIInChI=1S/C5H13FN2/c6-5(1-3-7)2-4-8/h5H,1-4,7-8H2
InChIKeyLGICJEFMIXNCBC-UHFFFAOYSA-N
MW120.17 g/mol
LogP0.02
Rot. Bonds4

About 3-fluoropentane-1,5-diamine

3-fluoropentane-1,5-diamine (PubChem CID 115011093) has the molecular formula C5H13FN2 and a molecular weight of 120.17 g/mol. Its IUPAC name is 3-fluoropentane-1,5-diamine.

Molecular Properties

Compound Name3-fluoropentane-1,5-diamine
PubChem CID115011093
Molecular FormulaC5H13FN2
Molecular Weight120.17 g/mol
Exact Mass120.11
IUPAC Name3-fluoropentane-1,5-diamine
SMILESNCCC(F)CCN
InChIInChI=1S/C5H13FN2/c6-5(1-3-7)2-4-8/h5H,1-4,7-8H2
InChIKeyLGICJEFMIXNCBC-UHFFFAOYSA-N
XLogP0.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2,6-diamino-4-fluorohexanoate
CID 54085358
(2S)-4-amino-2-fluorobutanoic acid
CID 7016346
3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine
CID 115014784
4-(5-chloro-2-fluorophenyl)-3-fluorobutan-1-amine
CID 103052162
methyl 4-amino-2-(difluoromethyl)butanoate
CID 105433282
octane-1,3,6,8-tetramine
CID 18680656
3-(difluoromethoxy)pentan-1-amine
CID 84716511
3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine
CID 107514810
1,3-diaminopropan-1-ol
CID 10419133
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
(2S)-4-amino-1,1,1-trifluorobutan-2-ol
CID 51886728
3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine
CID 63223427

Frequently Asked Questions

What is the IUPAC name of 3-fluoropentane-1,5-diamine?
The IUPAC name of 3-fluoropentane-1,5-diamine (CID 115011093) is 3-fluoropentane-1,5-diamine.
What is the SMILES notation for 3-fluoropentane-1,5-diamine?
The canonical SMILES for 3-fluoropentane-1,5-diamine is NCCC(F)CCN.
What is the InChIKey of 3-fluoropentane-1,5-diamine?
The InChIKey is LGICJEFMIXNCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13FN2/c6-5(1-3-7)2-4-8/h5H,1-4,7-8H2.
What are the key properties of 3-fluoropentane-1,5-diamine?
3-fluoropentane-1,5-diamine has a molecular weight of 120.17 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropentane-1,5-diamine is sourced from PubChem (CID 115011093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).