(2,2-difluorocyclohexyl)methylurea

C8H14F2N2O — CID 127010702

IUPAC(2,2-difluorocyclohexyl)methylurea
SMILESNC(=O)NCC1CCCCC1(F)F
InChIInChI=1S/C8H14F2N2O/c9-8(10)4-2-1-3-6(8)5-12-7(11)13/h6H,1-5H2,(H3,11,12,13)
InChIKeyKHRHCUOVPXFXBX-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.48
Rot. Bonds2

About (2,2-difluorocyclohexyl)methylurea

(2,2-difluorocyclohexyl)methylurea (PubChem CID 127010702) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is (2,2-difluorocyclohexyl)methylurea.

Molecular Properties

Compound Name(2,2-difluorocyclohexyl)methylurea
PubChem CID127010702
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name(2,2-difluorocyclohexyl)methylurea
SMILESNC(=O)NCC1CCCCC1(F)F
InChIInChI=1S/C8H14F2N2O/c9-8(10)4-2-1-3-6(8)5-12-7(11)13/h6H,1-5H2,(H3,11,12,13)
InChIKeyKHRHCUOVPXFXBX-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclohexyl)methylurea?
The IUPAC name of (2,2-difluorocyclohexyl)methylurea (CID 127010702) is (2,2-difluorocyclohexyl)methylurea.
What is the SMILES notation for (2,2-difluorocyclohexyl)methylurea?
The canonical SMILES for (2,2-difluorocyclohexyl)methylurea is NC(=O)NCC1CCCCC1(F)F.
What is the InChIKey of (2,2-difluorocyclohexyl)methylurea?
The InChIKey is KHRHCUOVPXFXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c9-8(10)4-2-1-3-6(8)5-12-7(11)13/h6H,1-5H2,(H3,11,12,13).
What are the key properties of (2,2-difluorocyclohexyl)methylurea?
(2,2-difluorocyclohexyl)methylurea has a molecular weight of 192.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclohexyl)methylurea is sourced from PubChem (CID 127010702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).