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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Related Compounds

4-Methyl-6-(trifluoromethyl)cyclohexen-1-amine
CID 89038480
4-(Trifluoromethyl)cyclohexen-1-amine
CID 89074199
(3R,6S)-6-fluoro-3-methylcyclohexen-1-amine
CID 118069798
4-[(1S,4S)-4-(1,1-difluoroethyl)cyclohex-2-en-1-yl]but-1-en-2-amine
CID 118311879
4,5-Difluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
CID 118588757
3,4,5-Trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
CID 118588923
4-Fluoro-6-methylcyclohexen-1-amine
CID 118629867
(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine
CID 126592411
3-[5-(2,2-Difluoroethyl)-1-methylcyclohexa-2,4-dien-1-yl]prop-1-en-2-amine
CID 131977013
(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine
CID 131995515
5-(1,1-Difluoroethyl)-3-fluorocyclohexen-1-amine
CID 134409095
1-(3,3-Difluoro-5-methylcyclohexyl)ethenamine
CID 139314120

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).