2-(fluoromethylidene)pentan-1-amine

C6H12FN — CID 159520813

IUPAC2-(fluoromethylidene)pentan-1-amine
SMILESCCCC(=CF)CN
InChIInChI=1S/C6H12FN/c1-2-3-6(4-7)5-8/h4H,2-3,5,8H2,1H3
InChIKeyMBTSHZKMSBYPPJ-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.60
Rot. Bonds3

About 2-(fluoromethylidene)pentan-1-amine

2-(fluoromethylidene)pentan-1-amine (PubChem CID 159520813) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-(fluoromethylidene)pentan-1-amine.

Molecular Properties

Compound Name2-(fluoromethylidene)pentan-1-amine
PubChem CID159520813
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name2-(fluoromethylidene)pentan-1-amine
SMILESCCCC(=CF)CN
InChIInChI=1S/C6H12FN/c1-2-3-6(4-7)5-8/h4H,2-3,5,8H2,1H3
InChIKeyMBTSHZKMSBYPPJ-UHFFFAOYSA-N
XLogP1.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 68909692
N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide
CID 153384815
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
bis(2-aminoacetic acid);butanoic acid
CID 174823541
2-ethylbut-2-ene-1,4-diamine
CID 175910887
CID 171374834
CID 171374834
4-ethylidene-2-methylheptan-2-amine
CID 123879864
ethyl butanoate;formic acid
CID 160963123
(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 66982900
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
(Z)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 25013780
(E)-3-fluoro-2-[[4-(methylaminosulfanyl)phenoxy]methyl]prop-2-en-1-amine
CID 134377206

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylidene)pentan-1-amine?
The IUPAC name of 2-(fluoromethylidene)pentan-1-amine (CID 159520813) is 2-(fluoromethylidene)pentan-1-amine.
What is the SMILES notation for 2-(fluoromethylidene)pentan-1-amine?
The canonical SMILES for 2-(fluoromethylidene)pentan-1-amine is CCCC(=CF)CN.
What is the InChIKey of 2-(fluoromethylidene)pentan-1-amine?
The InChIKey is MBTSHZKMSBYPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-2-3-6(4-7)5-8/h4H,2-3,5,8H2,1H3.
What are the key properties of 2-(fluoromethylidene)pentan-1-amine?
2-(fluoromethylidene)pentan-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylidene)pentan-1-amine is sourced from PubChem (CID 159520813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).