(4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

C14H15F6NO2 — CID 2836452

IUPAC(4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCC(C)(C)c1ccc(OC(=O)NC(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H15F6NO2/c1-12(2,3)8-4-6-9(7-5-8)23-11(22)21-10(13(15,16)17)14(18,19)20/h4-7,10H,1-3H3,(H,21,22)
InChIKeyCFNXYCHTWRHHRQ-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.57
Rot. Bonds2

About (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

(4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (PubChem CID 2836452) has the molecular formula C14H15F6NO2 and a molecular weight of 343.27 g/mol. Its IUPAC name is (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
PubChem CID2836452
Molecular FormulaC14H15F6NO2
Molecular Weight343.27 g/mol
Exact Mass343.10
IUPAC Name(4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCC(C)(C)c1ccc(OC(=O)NC(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H15F6NO2/c1-12(2,3)8-4-6-9(7-5-8)23-11(22)21-10(13(15,16)17)14(18,19)20/h4-7,10H,1-3H3,(H,21,22)
InChIKeyCFNXYCHTWRHHRQ-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

M-Cumenyl Methylcarbamate
CID 6143
Xylylcarb
CID 17040
Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
CID 13072
Paxamate
CID 71210
3-Tert-butylphenyl sec-butylcarbamate
CID 124542
Isopropylcarbamic Acid Biphenyl-3-yl Ester
CID 11673293
4-tert-Butylphenyl-(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbamate
CID 46887776
p-tert-Butylphenyl methylcarbamate
CID 75814
4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate
CID 58007
Carbamic acid, diethyl-, 4-(1,1-dimethylethyl)phenyl ester
CID 206678
3-(Trifluoromethyl)phenyl(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbamate
CID 46861650
4-(Trifluoromethyl)phenyl(1R,2S,5R)-2-isopropyl-5-methylcyclohexylcarbamate
CID 46861663

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The IUPAC name of (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CID 2836452) is (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.
What is the SMILES notation for (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The canonical SMILES for (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is CC(C)(C)c1ccc(OC(=O)NC(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The InChIKey is CFNXYCHTWRHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO2/c1-12(2,3)8-4-6-9(7-5-8)23-11(22)21-10(13(15,16)17)14(18,19)20/h4-7,10H,1-3H3,(H,21,22).
What are the key properties of (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
(4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has a molecular weight of 343.27 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is sourced from PubChem (CID 2836452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).