1,1-difluoro-N-propylhex-5-en-2-amine

C9H17F2N — CID 103516690

IUPAC1,1-difluoro-N-propylhex-5-en-2-amine
SMILESC=CCCC(NCCC)C(F)F
InChIInChI=1S/C9H17F2N/c1-3-5-6-8(9(10)11)12-7-4-2/h3,8-9,12H,1,4-7H2,2H3
InChIKeyMRJHJOLDUVDYCP-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.59
Rot. Bonds7

About 1,1-difluoro-N-propylhex-5-en-2-amine

1,1-difluoro-N-propylhex-5-en-2-amine (PubChem CID 103516690) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1,1-difluoro-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-propylhex-5-en-2-amine
PubChem CID103516690
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1,1-difluoro-N-propylhex-5-en-2-amine
SMILESC=CCCC(NCCC)C(F)F
InChIInChI=1S/C9H17F2N/c1-3-5-6-8(9(10)11)12-7-4-2/h3,8-9,12H,1,4-7H2,2H3
InChIKeyMRJHJOLDUVDYCP-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.59
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

Allyl-(1-methyl-pent-4-enyl)-amine
CID 11788335
2-Propylamino-5-hexene
CID 12541939
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
CID 121451140
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451142
(Z)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451144
6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
CID 121451147
1,1,1-trifluoro-N-methyloct-5-en-2-amine
CID 123342851
(E)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061406

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-propylhex-5-en-2-amine?
The IUPAC name of 1,1-difluoro-N-propylhex-5-en-2-amine (CID 103516690) is 1,1-difluoro-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1,1-difluoro-N-propylhex-5-en-2-amine?
The canonical SMILES for 1,1-difluoro-N-propylhex-5-en-2-amine is C=CCCC(NCCC)C(F)F.
What is the InChIKey of 1,1-difluoro-N-propylhex-5-en-2-amine?
The InChIKey is MRJHJOLDUVDYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-3-5-6-8(9(10)11)12-7-4-2/h3,8-9,12H,1,4-7H2,2H3.
What are the key properties of 1,1-difluoro-N-propylhex-5-en-2-amine?
1,1-difluoro-N-propylhex-5-en-2-amine has a molecular weight of 177.24 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-propylhex-5-en-2-amine is sourced from PubChem (CID 103516690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).