6-fluoroheptan-1-amine

C7H16FN — CID 83855129

IUPAC6-fluoroheptan-1-amine
SMILESCC(F)CCCCCN
InChIInChI=1S/C7H16FN/c1-7(8)5-3-2-4-6-9/h7H,2-6,9H2,1H3
InChIKeyABHRXLAKSWRBBA-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.86
Rot. Bonds5

About 6-fluoroheptan-1-amine

6-fluoroheptan-1-amine (PubChem CID 83855129) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is 6-fluoroheptan-1-amine.

Molecular Properties

Compound Name6-fluoroheptan-1-amine
PubChem CID83855129
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Name6-fluoroheptan-1-amine
SMILESCC(F)CCCCCN
InChIInChI=1S/C7H16FN/c1-7(8)5-3-2-4-6-9/h7H,2-6,9H2,1H3
InChIKeyABHRXLAKSWRBBA-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.86
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

1,8-difluorononane
CID 168864691
1,6-difluoroheptane
CID 139983024
36-methylheptatriacontan-1-amine
CID 134324173
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
2-fluorohenicosane
CID 91354486
3,4-dimethyldecane-1,10-diamine
CID 118234620
6-fluoro-7,7-dimethyloctan-1-amine
CID 83855226
2-methyldecane-1,1,10-triamine
CID 175230718
pentacosane-1,13,25-triamine
CID 174653759

Frequently Asked Questions

What is the IUPAC name of 6-fluoroheptan-1-amine?
The IUPAC name of 6-fluoroheptan-1-amine (CID 83855129) is 6-fluoroheptan-1-amine.
What is the SMILES notation for 6-fluoroheptan-1-amine?
The canonical SMILES for 6-fluoroheptan-1-amine is CC(F)CCCCCN.
What is the InChIKey of 6-fluoroheptan-1-amine?
The InChIKey is ABHRXLAKSWRBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-7(8)5-3-2-4-6-9/h7H,2-6,9H2,1H3.
What are the key properties of 6-fluoroheptan-1-amine?
6-fluoroheptan-1-amine has a molecular weight of 133.21 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroheptan-1-amine is sourced from PubChem (CID 83855129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).