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

C9H16F2N2O — CID 130758492

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-6(2)13-8(14)12-5-7-3-9(10,11)4-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyOYPVJVFJLARRDO-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.74
Rot. Bonds3

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

1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea (PubChem CID 130758492) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
PubChem CID130758492
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-6(2)13-8(14)12-5-7-3-9(10,11)4-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyOYPVJVFJLARRDO-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 131181775
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
CID 127004862
1-[(5-oxopyrrolidin-3-yl)methyl]-3-propan-2-ylurea
CID 131223521
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1-(2-fluoro-2-methylcyclopropyl)-3-propan-2-ylurea
CID 118330200
N-[(3,3-difluorocyclopentyl)methyl]propanamide
CID 131084528
1-(2,2-difluoroethyl)-3-propan-2-ylurea
CID 87414397
1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536720
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea (CID 130758492) is 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC1CC(F)(F)C1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea?
The InChIKey is OYPVJVFJLARRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-6(2)13-8(14)12-5-7-3-9(10,11)4-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea?
1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea has a molecular weight of 206.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 130758492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).