tert-butyl N,N-bis(3,3-difluoropropyl)carbamate

C11H19F4NO2 — CID 154707597

IUPACtert-butyl N,N-bis(3,3-difluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC(F)F)CCC(F)F
InChIInChI=1S/C11H19F4NO2/c1-11(2,3)18-10(17)16(6-4-8(12)13)7-5-9(14)15/h8-9H,4-7H2,1-3H3
InChIKeyJUMYNBDFFSMTDP-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.53
Rot. Bonds6

About tert-butyl N,N-bis(3,3-difluoropropyl)carbamate

tert-butyl N,N-bis(3,3-difluoropropyl)carbamate (PubChem CID 154707597) has the molecular formula C11H19F4NO2 and a molecular weight of 273.27 g/mol. Its IUPAC name is tert-butyl N,N-bis(3,3-difluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(3,3-difluoropropyl)carbamate
PubChem CID154707597
Molecular FormulaC11H19F4NO2
Molecular Weight273.27 g/mol
Exact Mass273.14
IUPAC Nametert-butyl N,N-bis(3,3-difluoropropyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC(F)F)CCC(F)F
InChIInChI=1S/C11H19F4NO2/c1-11(2,3)18-10(17)16(6-4-8(12)13)7-5-9(14)15/h8-9H,4-7H2,1-3H3
InChIKeyJUMYNBDFFSMTDP-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 4,4-difluoropiperidine-1-carboxylate
CID 21192511
tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
Tert-butyl 3,3-difluoropiperidine-1-carboxylate
CID 49759153
Tert-butyl 3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 117774488
tert-Butyl (3S)-3-(difluoromethyl)pyrrolidine-1-carboxylate
CID 156493977
tert-Butyl diethylcarbamate
CID 13314074
tert-butyl N-methyl-N-propylcarbamate
CID 14271612
N-Boc-2,2,2-trifluoro-N-methylethanamine
CID 17939435
tert-Butyl 4-(3,3,3-trifluoropropyl)-1-piperazine-carboxylate
CID 22633053
Tert-butyl 3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 49760526
tert-butyl N-(2-fluoroethyl)-N-methylcarbamate
CID 57905276
Tert-butyl 3,3,4,4-tetrafluoropyrrolidine-1-carboxylate
CID 58361957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(3,3-difluoropropyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(3,3-difluoropropyl)carbamate (CID 154707597) is tert-butyl N,N-bis(3,3-difluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(3,3-difluoropropyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(3,3-difluoropropyl)carbamate is CC(C)(C)OC(=O)N(CCC(F)F)CCC(F)F.
What is the InChIKey of tert-butyl N,N-bis(3,3-difluoropropyl)carbamate?
The InChIKey is JUMYNBDFFSMTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO2/c1-11(2,3)18-10(17)16(6-4-8(12)13)7-5-9(14)15/h8-9H,4-7H2,1-3H3.
What are the key properties of tert-butyl N,N-bis(3,3-difluoropropyl)carbamate?
tert-butyl N,N-bis(3,3-difluoropropyl)carbamate has a molecular weight of 273.27 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(3,3-difluoropropyl)carbamate is sourced from PubChem (CID 154707597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).