1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea

C10H18F2N2O — CID 164639619

IUPAC1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC[C@H]1CCCC1(F)F
InChIInChI=1S/C10H18F2N2O/c1-7(2)14-9(15)13-6-8-4-3-5-10(8,11)12/h7-8H,3-6H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyWYPHOMPTRGTFAO-MRVPVSSYSA-N
MW220.26 g/mol
LogP2.13
Rot. Bonds3

About 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea

1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea (PubChem CID 164639619) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
PubChem CID164639619
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC[C@H]1CCCC1(F)F
InChIInChI=1S/C10H18F2N2O/c1-7(2)14-9(15)13-6-8-4-3-5-10(8,11)12/h7-8H,3-6H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyWYPHOMPTRGTFAO-MRVPVSSYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Fluoroethyl)-3-(4-methylcyclohexyl)urea
CID 276745
3-(2-Butylcyclopentyl)-1-ethyl-1-methylurea
CID 56801089
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
1-(cyclopentylmethyl)-3-[(1S)-1-cyclopropylethyl]urea
CID 96471073
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-ethoxyurea
CID 99621932
3-[4-(Difluoromethyl)cyclohexyl]-1,1-dimethylurea
CID 126794515
1-Methyl-3-(3-propan-2-ylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 58395206
1-Methyl-3-(3-methylcyclopentyl)-1-(2,2,2-trifluoroethyl)urea
CID 68260672
3-(3-Ethylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260685
3-(3-Tert-butylcyclopentyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 68260788
1-(2,2-Difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea
CID 88913096
1-(2-Fluoroethyl)-3-[2-(trifluoromethyl)cyclohexyl]urea
CID 88976832

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea (CID 164639619) is 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NC[C@H]1CCCC1(F)F.
What is the InChIKey of 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea?
The InChIKey is WYPHOMPTRGTFAO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-7(2)14-9(15)13-6-8-4-3-5-10(8,11)12/h7-8H,3-6H2,1-2H3,(H2,13,14,15)/t8-/m1/s1.
What are the key properties of 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea?
1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea has a molecular weight of 220.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 164639619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).