1-fluorobutoxycarbonylcarbamic acid

C6H10FNO4 — CID 121334473

IUPAC1-fluorobutoxycarbonylcarbamic acid
SMILESCCCC(F)OC(=O)NC(=O)O
InChIInChI=1S/C6H10FNO4/c1-2-3-4(7)12-6(11)8-5(9)10/h4H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyUFDSFCWVRNFBQW-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.49
Rot. Bonds3

About 1-fluorobutoxycarbonylcarbamic acid

1-fluorobutoxycarbonylcarbamic acid (PubChem CID 121334473) has the molecular formula C6H10FNO4 and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-fluorobutoxycarbonylcarbamic acid.

Molecular Properties

Compound Name1-fluorobutoxycarbonylcarbamic acid
PubChem CID121334473
Molecular FormulaC6H10FNO4
Molecular Weight179.15 g/mol
Exact Mass179.06
IUPAC Name1-fluorobutoxycarbonylcarbamic acid
SMILESCCCC(F)OC(=O)NC(=O)O
InChIInChI=1S/C6H10FNO4/c1-2-3-4(7)12-6(11)8-5(9)10/h4H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeyUFDSFCWVRNFBQW-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pentan-2-yloxycarbonylcarbamic acid
CID 163661186
3-cyclopropyl-3-(1-fluorobutoxycarbonylamino)propanoic acid
CID 69372005
1-fluorobutyl piperidine-1-carboxylate
CID 68735520
1-methoxypropan-2-yloxycarbonylcarbamic acid
CID 59787138
butoxycarbonylcarbamic acid
CID 22136826
3-[1-(diethylamino)butoxy]-3-oxopropanoic acid
CID 156562861
dodecoxycarbonylcarbamic acid
CID 19778443
azane;carbonic acid;1,1-difluorobutane;2-methylpropane
CID 174591461
(2R)-pentane-1,1,2-tricarboxylic acid
CID 54153831
1-(carboxyamino)butylcarbamic acid
CID 174487694
pentan-2-yl N-methylcarbamate
CID 87800864
diethyl 2,3-difluorobutanedioate
CID 12868425

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutoxycarbonylcarbamic acid?
The IUPAC name of 1-fluorobutoxycarbonylcarbamic acid (CID 121334473) is 1-fluorobutoxycarbonylcarbamic acid.
What is the SMILES notation for 1-fluorobutoxycarbonylcarbamic acid?
The canonical SMILES for 1-fluorobutoxycarbonylcarbamic acid is CCCC(F)OC(=O)NC(=O)O.
What is the InChIKey of 1-fluorobutoxycarbonylcarbamic acid?
The InChIKey is UFDSFCWVRNFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO4/c1-2-3-4(7)12-6(11)8-5(9)10/h4H,2-3H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 1-fluorobutoxycarbonylcarbamic acid?
1-fluorobutoxycarbonylcarbamic acid has a molecular weight of 179.15 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutoxycarbonylcarbamic acid is sourced from PubChem (CID 121334473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).