1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine

C10H17F2N — CID 134421417

IUPAC1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine
SMILESCNC1(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H17F2N/c1-13-9(6-7-9)8-2-4-10(11,12)5-3-8/h8,13H,2-7H2,1H3
InChIKeyTTXYSTHYXCHBGY-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.56
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine

1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine (PubChem CID 134421417) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine
PubChem CID134421417
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine
SMILESCNC1(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H17F2N/c1-13-9(6-7-9)8-2-4-10(11,12)5-3-8/h8,13H,2-7H2,1H3
InChIKeyTTXYSTHYXCHBGY-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.56
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)-N-methylcyclopropan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine (CID 134421417) is 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine is CNC1(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine?
The InChIKey is TTXYSTHYXCHBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-13-9(6-7-9)8-2-4-10(11,12)5-3-8/h8,13H,2-7H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine?
1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-methylcyclopropan-1-amine is sourced from PubChem (CID 134421417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).