1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane

C11H21F2N — CID 143704763

IUPAC1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane
SMILESCC.CC=C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N.C2H6/c1-2-8(12)7-3-5-9(10,11)6-4-7;1-2/h2,7H,3-6,12H2,1H3;1-2H3
InChIKeyFPOYONDINVKZBU-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.70
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane

1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane (PubChem CID 143704763) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane
PubChem CID143704763
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane
SMILESCC.CC=C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N.C2H6/c1-2-8(12)7-3-5-9(10,11)6-4-7;1-2/h2,7H,3-6,12H2,1H3;1-2H3
InChIKeyFPOYONDINVKZBU-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane?
The IUPAC name of 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane (CID 143704763) is 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane is CC.CC=C(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane?
The InChIKey is FPOYONDINVKZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N.C2H6/c1-2-8(12)7-3-5-9(10,11)6-4-7;1-2/h2,7H,3-6,12H2,1H3;1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane?
1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane has a molecular weight of 205.29 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)prop-1-en-1-amine;ethane is sourced from PubChem (CID 143704763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).