1-(2-fluoroethyl)-3-(oxan-4-yl)urea

C8H15FN2O2 — CID 130659072

IUPAC1-(2-fluoroethyl)-3-(oxan-4-yl)urea
SMILESO=C(NCCF)NC1CCOCC1
InChIInChI=1S/C8H15FN2O2/c9-3-4-10-8(12)11-7-1-5-13-6-2-7/h7H,1-6H2,(H2,10,11,12)
InChIKeyFFVCQIDAIBTCMW-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.43
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(oxan-4-yl)urea

1-(2-fluoroethyl)-3-(oxan-4-yl)urea (PubChem CID 130659072) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(oxan-4-yl)urea
PubChem CID130659072
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name1-(2-fluoroethyl)-3-(oxan-4-yl)urea
SMILESO=C(NCCF)NC1CCOCC1
InChIInChI=1S/C8H15FN2O2/c9-3-4-10-8(12)11-7-1-5-13-6-2-7/h7H,1-6H2,(H2,10,11,12)
InChIKeyFFVCQIDAIBTCMW-UHFFFAOYSA-N
XLogP0.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(Oxan-4-yloxy)propyl]-3-propan-2-ylurea
CID 71994501
1-Methyl-3-(oxan-4-yl)urea
CID 271800
1-(Oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
CID 90554858
3-Ethyl-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554859
1-(2-Methyloxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 103887481
1-(Oxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115589758
1-(Oxan-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115616412
1-Methyl-1-(oxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115668200
1-(4-Methyloxan-4-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115774542
3,3-difluoro-N-(tetrahydro-2H-pyran-4-yl)azetidine-1-carboxamide
CID 122269487
1-(2-fluoroethyl)-3-[(3S)-oxan-3-yl]urea
CID 131038139
1-(2,2-Difluoroethyl)-3-(3-methyloxan-4-yl)urea
CID 132298816

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(oxan-4-yl)urea (CID 130659072) is 1-(2-fluoroethyl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(oxan-4-yl)urea is O=C(NCCF)NC1CCOCC1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(oxan-4-yl)urea?
The InChIKey is FFVCQIDAIBTCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c9-3-4-10-8(12)11-7-1-5-13-6-2-7/h7H,1-6H2,(H2,10,11,12).
What are the key properties of 1-(2-fluoroethyl)-3-(oxan-4-yl)urea?
1-(2-fluoroethyl)-3-(oxan-4-yl)urea has a molecular weight of 190.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 130659072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).