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

C15H26F2N2O4 — CID 58937549

IUPACfluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
SMILESCC1(C)CC(NC(=O)OCF)CC(C)(CNC(=O)OCCF)C1
InChIInChI=1S/C15H26F2N2O4/c1-14(2)6-11(19-13(21)23-10-17)7-15(3,8-14)9-18-12(20)22-5-4-16/h11H,4-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZMYIVOKDLIIDLA-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.92
Rot. Bonds6

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

fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate (PubChem CID 58937549) has the molecular formula C15H26F2N2O4 and a molecular weight of 336.38 g/mol. Its IUPAC name is fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate.

Molecular Properties

Compound Namefluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
PubChem CID58937549
Molecular FormulaC15H26F2N2O4
Molecular Weight336.38 g/mol
Exact Mass336.19
IUPAC Namefluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
SMILESCC1(C)CC(NC(=O)OCF)CC(C)(CNC(=O)OCCF)C1
InChIInChI=1S/C15H26F2N2O4/c1-14(2)6-11(19-13(21)23-10-17)7-15(3,8-14)9-18-12(20)22-5-4-16/h11H,4-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyZMYIVOKDLIIDLA-UHFFFAOYSA-N
XLogP2.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.92
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)methyl]-3,5,5-trimethylcyclohexyl]carbamate?
The IUPAC name of fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate (CID 58937549) is fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate.
What is the SMILES notation for fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate?
The canonical SMILES for fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate is CC1(C)CC(NC(=O)OCF)CC(C)(CNC(=O)OCCF)C1.
What is the InChIKey of fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate?
The InChIKey is ZMYIVOKDLIIDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O4/c1-14(2)6-11(19-13(21)23-10-17)7-15(3,8-14)9-18-12(20)22-5-4-16/h11H,4-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate?
fluoromethyl N-[3-[(2-fluoroethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate has a molecular weight of 336.38 g/mol, XLogP of 2.92, 6 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)methyl]-3,5,5-trimethylcyclohexyl]carbamate is sourced from PubChem (CID 58937549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).