8,8-difluorooct-3-en-1-amine

C8H15F2N — CID 90786010

IUPAC8,8-difluorooct-3-en-1-amine
SMILESNCCC=CCCCC(F)F
InChIInChI=1S/C8H15F2N/c9-8(10)6-4-2-1-3-5-7-11/h1,3,8H,2,4-7,11H2
InChIKeyCLVGDQUVLWHFHQ-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.33
Rot. Bonds6

About 8,8-difluorooct-3-en-1-amine

8,8-difluorooct-3-en-1-amine (PubChem CID 90786010) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 8,8-difluorooct-3-en-1-amine.

Molecular Properties

Compound Name8,8-difluorooct-3-en-1-amine
PubChem CID90786010
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name8,8-difluorooct-3-en-1-amine
SMILESNCCC=CCCCC(F)F
InChIInChI=1S/C8H15F2N/c9-8(10)6-4-2-1-3-5-7-11/h1,3,8H,2,4-7,11H2
InChIKeyCLVGDQUVLWHFHQ-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-7,7-difluorohept-2-ene
CID 58814949
7-ethylsulfonylhept-3-en-1-amine
CID 79592026
(3E)-undeca-3,10-dien-1-amine
CID 107010613
1,1,7,7-tetrafluoroheptane
CID 87478513
tetradec-7-ene-1,14-diamine
CID 91430908
7,7-difluorohept-3-ene
CID 54444112
5-(4-ethylphenyl)pent-3-en-1-amine
CID 79591021
(Z)-dec-7-en-3-amine
CID 55254863
22-methyltricos-13-en-1-amine
CID 172998015
(Z)-20-methylhenicos-9-en-1-amine
CID 139899132
(Z)-dodec-6-en-2-amine
CID 55253643
octadec-9-en-1-amine
CID 8219

Frequently Asked Questions

What is the IUPAC name of 8,8-difluorooct-3-en-1-amine?
The IUPAC name of 8,8-difluorooct-3-en-1-amine (CID 90786010) is 8,8-difluorooct-3-en-1-amine.
What is the SMILES notation for 8,8-difluorooct-3-en-1-amine?
The canonical SMILES for 8,8-difluorooct-3-en-1-amine is NCCC=CCCCC(F)F.
What is the InChIKey of 8,8-difluorooct-3-en-1-amine?
The InChIKey is CLVGDQUVLWHFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c9-8(10)6-4-2-1-3-5-7-11/h1,3,8H,2,4-7,11H2.
What are the key properties of 8,8-difluorooct-3-en-1-amine?
8,8-difluorooct-3-en-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluorooct-3-en-1-amine is sourced from PubChem (CID 90786010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).