4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine

C9H17F2N — CID 144884908

IUPAC4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine
SMILESC=C(C)NC(CC)C(F)(F)CC
InChIInChI=1S/C9H17F2N/c1-5-8(12-7(3)4)9(10,11)6-2/h8,12H,3,5-6H2,1-2,4H3
InChIKeyNSZMMQMKWFFOBO-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.93
Rot. Bonds5

About 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine

4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine (PubChem CID 144884908) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine.

Molecular Properties

Compound Name4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine
PubChem CID144884908
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine
SMILESC=C(C)NC(CC)C(F)(F)CC
InChIInChI=1S/C9H17F2N/c1-5-8(12-7(3)4)9(10,11)6-2/h8,12H,3,5-6H2,1-2,4H3
InChIKeyNSZMMQMKWFFOBO-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.93
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
4-N-but-2-en-2-yl-4-N-(difluoromethyl)-2-N-ethylpentane-2,4-diamine
CID 123782345
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-amine
CID 137506754
4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine
CID 142175087
(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine
CID 146266307
(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
3,3-difluoro-N-propan-2-ylprop-1-en-2-amine
CID 169967434
5-fluoro-N-prop-1-en-2-ylpentan-1-amine
CID 169972047

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine?
The IUPAC name of 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine (CID 144884908) is 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine.
What is the SMILES notation for 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine?
The canonical SMILES for 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine is C=C(C)NC(CC)C(F)(F)CC.
What is the InChIKey of 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine?
The InChIKey is NSZMMQMKWFFOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-5-8(12-7(3)4)9(10,11)6-2/h8,12H,3,5-6H2,1-2,4H3.
What are the key properties of 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine?
4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine has a molecular weight of 177.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine is sourced from PubChem (CID 144884908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).