fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate

C14H24F2N2O4 — CID 58362310

IUPACfluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate
SMILESCC1(C)CC(NC(=O)OCF)CC(C)(NC(=O)OCCF)C1
InChIInChI=1S/C14H24F2N2O4/c1-13(2)6-10(17-11(19)22-9-16)7-14(3,8-13)18-12(20)21-5-4-15/h10H,4-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWXPLNDXEDIBTGE-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.67
Rot. Bonds5

About fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate

fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate (PubChem CID 58362310) has the molecular formula C14H24F2N2O4 and a molecular weight of 322.35 g/mol. Its IUPAC name is fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate.

Molecular Properties

Compound Namefluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate
PubChem CID58362310
Molecular FormulaC14H24F2N2O4
Molecular Weight322.35 g/mol
Exact Mass322.17
IUPAC Namefluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate
SMILESCC1(C)CC(NC(=O)OCF)CC(C)(NC(=O)OCCF)C1
InChIInChI=1S/C14H24F2N2O4/c1-13(2)6-10(17-11(19)22-9-16)7-14(3,8-13)18-12(20)21-5-4-15/h10H,4-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWXPLNDXEDIBTGE-UHFFFAOYSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate?
The IUPAC name of fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate (CID 58362310) is fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate.
What is the SMILES notation for fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate?
The canonical SMILES for fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate is CC1(C)CC(NC(=O)OCF)CC(C)(NC(=O)OCCF)C1.
What is the InChIKey of fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate?
The InChIKey is WXPLNDXEDIBTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O4/c1-13(2)6-10(17-11(19)22-9-16)7-14(3,8-13)18-12(20)21-5-4-15/h10H,4-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate?
fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate has a molecular weight of 322.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl N-[3-(2-fluoroethoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamate is sourced from PubChem (CID 58362310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).