N-ethyl-2-(fluoromethyl)pent-4-en-1-amine

C8H16FN — CID 174262352

IUPACN-ethyl-2-(fluoromethyl)pent-4-en-1-amine
SMILESC=CCC(CF)CNCC
InChIInChI=1S/C8H16FN/c1-3-5-8(6-9)7-10-4-2/h3,8,10H,1,4-7H2,2H3
InChIKeyANHVUGMWVWZZMG-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.76
Rot. Bonds6

About N-ethyl-2-(fluoromethyl)pent-4-en-1-amine

N-ethyl-2-(fluoromethyl)pent-4-en-1-amine (PubChem CID 174262352) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-ethyl-2-(fluoromethyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(fluoromethyl)pent-4-en-1-amine
PubChem CID174262352
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-ethyl-2-(fluoromethyl)pent-4-en-1-amine
SMILESC=CCC(CF)CNCC
InChIInChI=1S/C8H16FN/c1-3-5-8(6-9)7-10-4-2/h3,8,10H,1,4-7H2,2H3
InChIKeyANHVUGMWVWZZMG-UHFFFAOYSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
ethene;4-ethylhex-1-ene
CID 159399050
N-ethyl-2-prop-2-enoxypropan-1-amine
CID 62442088
5-(ethylamino)-4-methylpent-1-en-3-one
CID 116565247
methyl hydrogen sulfate;2-(2-prop-2-enylpent-4-enylamino)ethanol
CID 175720833
1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
(Z)-N-ethyl-2-(methylsulfanylmethyl)hex-4-en-1-amine
CID 167045695
N-ethyl-2-prop-2-enoxypentan-1-amine
CID 83045873
1-N-ethyl-2-N-pent-4-enylpropane-1,2-diamine
CID 116674130
(3S)-hex-5-en-3-ol
CID 10749148
sodium;N-ethylprop-2-en-1-amine;hydride
CID 173234565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(fluoromethyl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-2-(fluoromethyl)pent-4-en-1-amine (CID 174262352) is N-ethyl-2-(fluoromethyl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-2-(fluoromethyl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-2-(fluoromethyl)pent-4-en-1-amine is C=CCC(CF)CNCC.
What is the InChIKey of N-ethyl-2-(fluoromethyl)pent-4-en-1-amine?
The InChIKey is ANHVUGMWVWZZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-5-8(6-9)7-10-4-2/h3,8,10H,1,4-7H2,2H3.
What are the key properties of N-ethyl-2-(fluoromethyl)pent-4-en-1-amine?
N-ethyl-2-(fluoromethyl)pent-4-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(fluoromethyl)pent-4-en-1-amine is sourced from PubChem (CID 174262352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).