[4-(difluoromethylidene)cyclohexyl]methyl carbamate

C9H13F2NO2 — CID 141073736

IUPAC[4-(difluoromethylidene)cyclohexyl]methyl carbamate
SMILESNC(=O)OCC1CCC(=C(F)F)CC1
InChIInChI=1S/C9H13F2NO2/c10-8(11)7-3-1-6(2-4-7)5-14-9(12)13/h6H,1-5H2,(H2,12,13)
InChIKeyBEKXBEYDPKJYRQ-UHFFFAOYSA-N
MW205.20 g/mol
LogP2.42
Rot. Bonds2

About [4-(difluoromethylidene)cyclohexyl]methyl carbamate

[4-(difluoromethylidene)cyclohexyl]methyl carbamate (PubChem CID 141073736) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is [4-(difluoromethylidene)cyclohexyl]methyl carbamate.

Molecular Properties

Compound Name[4-(difluoromethylidene)cyclohexyl]methyl carbamate
PubChem CID141073736
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name[4-(difluoromethylidene)cyclohexyl]methyl carbamate
SMILESNC(=O)OCC1CCC(=C(F)F)CC1
InChIInChI=1S/C9H13F2NO2/c10-8(11)7-3-1-6(2-4-7)5-14-9(12)13/h6H,1-5H2,(H2,12,13)
InChIKeyBEKXBEYDPKJYRQ-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylidene)cyclohexyl]methyl carbamate?
The IUPAC name of [4-(difluoromethylidene)cyclohexyl]methyl carbamate (CID 141073736) is [4-(difluoromethylidene)cyclohexyl]methyl carbamate.
What is the SMILES notation for [4-(difluoromethylidene)cyclohexyl]methyl carbamate?
The canonical SMILES for [4-(difluoromethylidene)cyclohexyl]methyl carbamate is NC(=O)OCC1CCC(=C(F)F)CC1.
What is the InChIKey of [4-(difluoromethylidene)cyclohexyl]methyl carbamate?
The InChIKey is BEKXBEYDPKJYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-8(11)7-3-1-6(2-4-7)5-14-9(12)13/h6H,1-5H2,(H2,12,13).
What are the key properties of [4-(difluoromethylidene)cyclohexyl]methyl carbamate?
[4-(difluoromethylidene)cyclohexyl]methyl carbamate has a molecular weight of 205.20 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylidene)cyclohexyl]methyl carbamate is sourced from PubChem (CID 141073736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).