1,3-bis(2,3,3-trifluoropropyl)urea

C7H10F6N2O — CID 22005457

IUPAC1,3-bis(2,3,3-trifluoropropyl)urea
SMILESO=C(NCC(F)C(F)F)NCC(F)C(F)F
InChIInChI=1S/C7H10F6N2O/c8-3(5(10)11)1-14-7(16)15-2-4(9)6(12)13/h3-6H,1-2H2,(H2,14,15,16)
InChIKeyDQZLBMDTBXCUDZ-UHFFFAOYSA-N
MW252.16 g/mol
LogP1.49
Rot. Bonds6

About 1,3-bis(2,3,3-trifluoropropyl)urea

1,3-bis(2,3,3-trifluoropropyl)urea (PubChem CID 22005457) has the molecular formula C7H10F6N2O and a molecular weight of 252.16 g/mol. Its IUPAC name is 1,3-bis(2,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1,3-bis(2,3,3-trifluoropropyl)urea
PubChem CID22005457
Molecular FormulaC7H10F6N2O
Molecular Weight252.16 g/mol
Exact Mass252.07
IUPAC Name1,3-bis(2,3,3-trifluoropropyl)urea
SMILESO=C(NCC(F)C(F)F)NCC(F)C(F)F
InChIInChI=1S/C7H10F6N2O/c8-3(5(10)11)1-14-7(16)15-2-4(9)6(12)13/h3-6H,1-2H2,(H2,14,15,16)
InChIKeyDQZLBMDTBXCUDZ-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
CID 103734263
1-(2,2-difluoroethyl)-3-prop-2-ynylurea
CID 126992022
1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
CID 131224415
1-(2,2-difluoroethyl)-3-propan-2-ylurea
CID 87414397
4-(2,2-difluoroethylcarbamoylamino)butanoic acid
CID 115408056
2-(2,2-difluoroethylcarbamoylamino)-3-methylbutanoic acid
CID 115408104
1,3-bis(2-hydroxy-2-methoxyethyl)urea
CID 57276447
(2S,3R)-2-(2,2-difluoroethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966469
(3,3-difluoro-2-methylpropyl)carbamic acid
CID 88688289
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 115408123

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3,3-trifluoropropyl)urea?
The IUPAC name of 1,3-bis(2,3,3-trifluoropropyl)urea (CID 22005457) is 1,3-bis(2,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1,3-bis(2,3,3-trifluoropropyl)urea?
The canonical SMILES for 1,3-bis(2,3,3-trifluoropropyl)urea is O=C(NCC(F)C(F)F)NCC(F)C(F)F.
What is the InChIKey of 1,3-bis(2,3,3-trifluoropropyl)urea?
The InChIKey is DQZLBMDTBXCUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N2O/c8-3(5(10)11)1-14-7(16)15-2-4(9)6(12)13/h3-6H,1-2H2,(H2,14,15,16).
What are the key properties of 1,3-bis(2,3,3-trifluoropropyl)urea?
1,3-bis(2,3,3-trifluoropropyl)urea has a molecular weight of 252.16 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,3,3-trifluoropropyl)urea is sourced from PubChem (CID 22005457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).