4-ethyl-2-fluorohexan-1-amine

C8H18FN — CID 112562625

IUPAC4-ethyl-2-fluorohexan-1-amine
SMILESCCC(CC)CC(F)CN
InChIInChI=1S/C8H18FN/c1-3-7(4-2)5-8(9)6-10/h7-8H,3-6,10H2,1-2H3
InChIKeyRMIBGUKUPHCRQH-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.11
Rot. Bonds5

About 4-ethyl-2-fluorohexan-1-amine

4-ethyl-2-fluorohexan-1-amine (PubChem CID 112562625) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 4-ethyl-2-fluorohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-fluorohexan-1-amine
PubChem CID112562625
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name4-ethyl-2-fluorohexan-1-amine
SMILESCCC(CC)CC(F)CN
InChIInChI=1S/C8H18FN/c1-3-7(4-2)5-8(9)6-10/h7-8H,3-6,10H2,1-2H3
InChIKeyRMIBGUKUPHCRQH-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluorobutan-1-amine;hydrochloride
CID 71755419
3-ethyl-5-fluorooctane
CID 175589008
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
3-ethyl-1,1-difluoropentane
CID 121258317
2-ethylpropane-1,3-diamine
CID 14499053
2,4-diethylpentane-1,5-diamine;ethanamine
CID 162225203
2-(aminomethyl)-4-ethylhexanamide
CID 62313240
(2S,4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716912
(4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716877
2-fluorohexan-1-amine
CID 55288883
3-fluoro-5-propyloctane
CID 168880938
2-ethyl-4,5-dimethylhexan-1-amine
CID 147299389

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluorohexan-1-amine?
The IUPAC name of 4-ethyl-2-fluorohexan-1-amine (CID 112562625) is 4-ethyl-2-fluorohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-fluorohexan-1-amine?
The canonical SMILES for 4-ethyl-2-fluorohexan-1-amine is CCC(CC)CC(F)CN.
What is the InChIKey of 4-ethyl-2-fluorohexan-1-amine?
The InChIKey is RMIBGUKUPHCRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-3-7(4-2)5-8(9)6-10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 4-ethyl-2-fluorohexan-1-amine?
4-ethyl-2-fluorohexan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluorohexan-1-amine is sourced from PubChem (CID 112562625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).