5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine

C10H19F2N — CID 168892542

IUPAC5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine
SMILESC=C(C)NC(CC)CC(F)(F)CC
InChIInChI=1S/C10H19F2N/c1-5-9(13-8(3)4)7-10(11,12)6-2/h9,13H,3,5-7H2,1-2,4H3
InChIKeyUKASTOHJFNXCGO-UHFFFAOYSA-N
MW191.26 g/mol
LogP3.32
Rot. Bonds6

About 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine

5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine (PubChem CID 168892542) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine.

Molecular Properties

Compound Name5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine
PubChem CID168892542
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine
SMILESC=C(C)NC(CC)CC(F)(F)CC
InChIInChI=1S/C10H19F2N/c1-5-9(13-8(3)4)7-10(11,12)6-2/h9,13H,3,5-7H2,1-2,4H3
InChIKeyUKASTOHJFNXCGO-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(3S,4R)-3,4-difluoro-N-prop-1-en-2-ylcyclopentan-1-amine
CID 89711504
N-hexyl-N'-(3,3,3-trifluoroprop-1-en-2-yl)ethane-1,2-diamine
CID 118151579
(2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine
CID 155453758
(1R)-2,2-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine
CID 164091375
2,2-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine
CID 164091376
5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane
CID 168892541
5-fluoro-N-prop-1-en-2-ylpentan-1-amine
CID 169972047
2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine
CID 178011559
N-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexanamine
CID 71422452
4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine
CID 144884908
4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine
CID 162572545
2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine
CID 89305259

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine?
The IUPAC name of 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine (CID 168892542) is 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine.
What is the SMILES notation for 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine?
The canonical SMILES for 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine is C=C(C)NC(CC)CC(F)(F)CC.
What is the InChIKey of 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine?
The InChIKey is UKASTOHJFNXCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-5-9(13-8(3)4)7-10(11,12)6-2/h9,13H,3,5-7H2,1-2,4H3.
What are the key properties of 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine?
5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine has a molecular weight of 191.26 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine is sourced from PubChem (CID 168892542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).