4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine

C9H18FNO — CID 167021573

IUPAC4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine
SMILESCNC1(C)CCC(OCF)CC1
InChIInChI=1S/C9H18FNO/c1-9(11-2)5-3-8(4-6-9)12-7-10/h8,11H,3-7H2,1-2H3
InChIKeySZWPFKPGPBGBEE-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.85
Rot. Bonds3

About 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine

4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine (PubChem CID 167021573) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine
PubChem CID167021573
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine
SMILESCNC1(C)CCC(OCF)CC1
InChIInChI=1S/C9H18FNO/c1-9(11-2)5-3-8(4-6-9)12-7-10/h8,11H,3-7H2,1-2H3
InChIKeySZWPFKPGPBGBEE-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine?
The IUPAC name of 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine (CID 167021573) is 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine is CNC1(C)CCC(OCF)CC1.
What is the InChIKey of 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine?
The InChIKey is SZWPFKPGPBGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(11-2)5-3-8(4-6-9)12-7-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine?
4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethoxy)-N,1-dimethylcyclohexan-1-amine is sourced from PubChem (CID 167021573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).