3,3-difluoro-N-hexylheptan-4-amine

C13H27F2N — CID 162571066

IUPAC3,3-difluoro-N-hexylheptan-4-amine
SMILESCCCCCCNC(CCC)C(F)(F)CC
InChIInChI=1S/C13H27F2N/c1-4-7-8-9-11-16-12(10-5-2)13(14,15)6-3/h12,16H,4-11H2,1-3H3
InChIKeyWGBYRRLMJOFWGS-UHFFFAOYSA-N
MW235.36 g/mol
LogP4.37
Rot. Bonds10

About 3,3-difluoro-N-hexylheptan-4-amine

3,3-difluoro-N-hexylheptan-4-amine (PubChem CID 162571066) has the molecular formula C13H27F2N and a molecular weight of 235.36 g/mol. Its IUPAC name is 3,3-difluoro-N-hexylheptan-4-amine.

Molecular Properties

Compound Name3,3-difluoro-N-hexylheptan-4-amine
PubChem CID162571066
Molecular FormulaC13H27F2N
Molecular Weight235.36 g/mol
Exact Mass235.21
IUPAC Name3,3-difluoro-N-hexylheptan-4-amine
SMILESCCCCCCNC(CCC)C(F)(F)CC
InChIInChI=1S/C13H27F2N/c1-4-7-8-9-11-16-12(10-5-2)13(14,15)6-3/h12,16H,4-11H2,1-3H3
InChIKeyWGBYRRLMJOFWGS-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-2-ylheptan-1-amine
CID 43129169
1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
1-chloro-N-hexyl-4,4-dimethylpentan-3-amine
CID 106353980
N-hexan-3-ylhexan-1-amine
CID 62117591
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
2-(hexylamino)pentan-1-ol
CID 155661034
1-N',1-N'-diethyl-1-N-octadecylethane-1,1-diamine
CID 139642317
N-propan-2-ylicosan-1-amine
CID 87246132
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylundecan-1-amine
CID 150124606
N-pentyloctan-4-amine
CID 106023306

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-hexylheptan-4-amine?
The IUPAC name of 3,3-difluoro-N-hexylheptan-4-amine (CID 162571066) is 3,3-difluoro-N-hexylheptan-4-amine.
What is the SMILES notation for 3,3-difluoro-N-hexylheptan-4-amine?
The canonical SMILES for 3,3-difluoro-N-hexylheptan-4-amine is CCCCCCNC(CCC)C(F)(F)CC.
What is the InChIKey of 3,3-difluoro-N-hexylheptan-4-amine?
The InChIKey is WGBYRRLMJOFWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2N/c1-4-7-8-9-11-16-12(10-5-2)13(14,15)6-3/h12,16H,4-11H2,1-3H3.
What are the key properties of 3,3-difluoro-N-hexylheptan-4-amine?
3,3-difluoro-N-hexylheptan-4-amine has a molecular weight of 235.36 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-hexylheptan-4-amine is sourced from PubChem (CID 162571066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).