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

C12H25F2N — CID 168892541

IUPAC5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane
SMILESC=C(C)NC(CC)CC(F)(F)CC.CC
InChIInChI=1S/C10H19F2N.C2H6/c1-5-9(13-8(3)4)7-10(11,12)6-2;1-2/h9,13H,3,5-7H2,1-2,4H3;1-2H3
InChIKeyYUYLZXCGJXESDA-UHFFFAOYSA-N
MW221.33 g/mol
LogP4.35
Rot. Bonds6

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

5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane (PubChem CID 168892541) has the molecular formula C12H25F2N and a molecular weight of 221.33 g/mol. Its IUPAC name is 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane.

Molecular Properties

Compound Name5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane
PubChem CID168892541
Molecular FormulaC12H25F2N
Molecular Weight221.33 g/mol
Exact Mass221.20
IUPAC Name5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane
SMILESC=C(C)NC(CC)CC(F)(F)CC.CC
InChIInChI=1S/C10H19F2N.C2H6/c1-5-9(13-8(3)4)7-10(11,12)6-2;1-2/h9,13H,3,5-7H2,1-2,4H3;1-2H3
InChIKeyYUYLZXCGJXESDA-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane?
The IUPAC name of 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane (CID 168892541) is 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane.
What is the SMILES notation for 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane?
The canonical SMILES for 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane is C=C(C)NC(CC)CC(F)(F)CC.CC.
What is the InChIKey of 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane?
The InChIKey is YUYLZXCGJXESDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N.C2H6/c1-5-9(13-8(3)4)7-10(11,12)6-2;1-2/h9,13H,3,5-7H2,1-2,4H3;1-2H3.
What are the key properties of 5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane?
5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane has a molecular weight of 221.33 g/mol, XLogP of 4.35, 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;ethane is sourced from PubChem (CID 168892541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).