N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine

C14H23F2N — CID 155274500

IUPACN-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)C1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N/c1-10(2)13(12(5)17-11(3)4)6-8-14(15,16)9-7-13/h10,17H,3,5-9H2,1-2,4H3
InChIKeyIMGAFGRZIFQUHQ-UHFFFAOYSA-N
MW243.34 g/mol
LogP4.47
Rot. Bonds4

About N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine

N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine (PubChem CID 155274500) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine
PubChem CID155274500
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC NameN-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)C1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N/c1-10(2)13(12(5)17-11(3)4)6-8-14(15,16)9-7-13/h10,17H,3,5-9H2,1-2,4H3
InChIKeyIMGAFGRZIFQUHQ-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine (CID 155274500) is N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine is C=C(C)NC(=C)C1(C(C)C)CCC(F)(F)CC1.
What is the InChIKey of N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine?
The InChIKey is IMGAFGRZIFQUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c1-10(2)13(12(5)17-11(3)4)6-8-14(15,16)9-7-13/h10,17H,3,5-9H2,1-2,4H3.
What are the key properties of N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine?
N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine has a molecular weight of 243.34 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 155274500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).